1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine

C11H16N2O3S — CID 167990337

IUPAC1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCOC(C)CS(=O)(=O)N1CCc2cnccc21
InChIInChI=1S/C11H16N2O3S/c1-9(16-2)8-17(14,15)13-6-4-10-7-12-5-3-11(10)13/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyRLQLJIPGFBOXOZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine

1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine (PubChem CID 167990337) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
PubChem CID167990337
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCOC(C)CS(=O)(=O)N1CCc2cnccc21
InChIInChI=1S/C11H16N2O3S/c1-9(16-2)8-17(14,15)13-6-4-10-7-12-5-3-11(10)13/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyRLQLJIPGFBOXOZ-UHFFFAOYSA-N
XLogP0.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine (CID 167990337) is 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine is COC(C)CS(=O)(=O)N1CCc2cnccc21.
What is the InChIKey of 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is RLQLJIPGFBOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9(16-2)8-17(14,15)13-6-4-10-7-12-5-3-11(10)13/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 256.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167990337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).